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6145-73-9

Basic Information
CAS No.: 6145-73-9
Name: Tris(2-chloropropyl) phosphate
Article Data: 13
Molecular Structure:
Molecular Structure of 6145-73-9 (Tris(2-chloropropyl) phosphate)
Formula: C9H18Cl3O4P
Molecular Weight: 327.572
Synonyms: 1-Propanol,2-chloro-, phosphate (3:1) (6CI,8CI,9CI);AP 33;Antiblaze RX 35;NSC 524664;Noinen R 921;Pelron 9338;TCPP;TMCPP;Tri(2-chloropropyl) phosphate;Tri(b-chloropropyl) phosphate;Tris(2-chloropropyl) phosphate;Tris(b-chloropropyl) phosphate;
EINECS: 228-150-4
Density: 1.281 g/cm3
Boiling Point: 358.5 °C at 760 mmHg
Flash Point: 249.7 °C
Solubility: <0.1 g/100 mL at 19.5℃
PSA: 54.57000
LogP: 4.02620
Synthetic route
75-56-9, 16033-71-9

methyloxirane

6145-73-9

Tris(2-chloropropyl) phosphate

Conditions
ConditionsYield
With trichlorophosphate at 10℃; for 2h; Reagent/catalyst; Autoclave; Reflux;98.3%
With triethylamine; trichlorophosphate
With titanium tetrachloride; trichlorophosphate
108-32-7

1,2-propylene cyclic carbonate

6145-73-9

Tris(2-chloropropyl) phosphate

Conditions
ConditionsYield
With trichlorophosphate
75-56-9, 16033-71-9

methyloxirane

A

(ClCH2CH2CH2O)(MeCHClCH2O)2PO

B

(ClCH2CH2CH2O)2(MeCHClCH2O)PO

C

6145-73-9

Tris(2-chloropropyl) phosphate

D

1067-98-7

tris(3-chloropropyl) phosphate

Conditions
ConditionsYield
With trichlorophosphate; aluminum oxide at 45 - 75℃; for 3 - 6h; Product distribution / selectivity;A 29.7 %Chromat.
B 6.3 %Chromat.
C 50 %Chromat.
D 0.5 %Chromat.
With trichlorophosphate; ZR(OZ)2WO3 (RO129) at 40 - 55℃; for 3h; Product distribution / selectivity;A 13.8 %Chromat.
B 5.0 %Chromat.
C 14.8 %Chromat.
D 1.6 %Chromat.
With trichlorophosphate; magnesium aluminate at 40 - 75℃; for 3h; Product distribution / selectivity;A 23.9 %Chromat.
B 5.2 %Chromat.
C 51.7 %Chromat.
D 0.5 %Chromat.
75-56-9, 16033-71-9

methyloxirane

A

6145-73-9

Tris(2-chloropropyl) phosphate

C

13674-84-5

tris-(2-chloro, 1-methylethyl)-phosphate

D

76025-08-6

bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

E

76649-15-5

2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions
ConditionsYield
With trichlorophosphate; aluminum (III) chloride at 40 - 65℃; for 6h; Product distribution / selectivity;
With trichlorophosphate; titanium tetrachloride at 40 - 65℃; for 6h; Product distribution / selectivity;
75-56-9, 16033-71-9

methyloxirane

A

6145-73-9

Tris(2-chloropropyl) phosphate

B

13674-84-5

tris-(2-chloro, 1-methylethyl)-phosphate

C

76025-08-6

bis(2-chloro-1-methylethyl)(2-chloropropyl)phosphate

D

76649-15-5

2-chloro-1-methylethyl bis(2-chloropropyl)phosphate

Conditions
ConditionsYield
With trichlorophosphate; aluminum (III) chloride at 50 - 95℃; for 6h; Product distribution / selectivity;
6145-73-9

Tris(2-chloropropyl) phosphate

7550-45-0

titanium tetrachloride

1022894-35-4

bis[tri(2-chloropropyl)phosphate]tetrachlorotitanium

Conditions
ConditionsYield
In neat (no solvent) (inert atm); TiCl4 was added to phosphate with stiring, maintained at room temp. for 1 h;
6145-73-9

Tris(2-chloropropyl) phosphate

7646-78-8

tin(IV) chloride

1022894-33-2

bis[tri(2-chloropropyl)phosphate]tetrachlorotin

Conditions
ConditionsYield
In neat (no solvent) (inert atm); SnCl4 was added to phosphate with stiring, maintained at room temp. for 1 h;
6145-73-9

Tris(2-chloropropyl) phosphate

7646-85-7

zinc(II) chloride

1131798-16-7

bis[tri(2-chloropropyl)phosphate]dichlorozinc

Conditions
ConditionsYield
In neat (no solvent) (inert atm); ZnCl2 was added to phosphate with stiring, heated at 1--=120°C for 1.5-2 h;
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    Tris-(2-chloropropyl)-phosphate

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Specification

The cas register number of Tris(2-chloropropyl) phosphate is 6145-73-9. It also can be called as Tris(beta-chloropropyl) phosphate and the Systematic name about this chemical is 1-Propanol, 2-chloro-, 1,1',1''-phosphate.

Physical properties about Tris(2-chloropropyl) phosphate are: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.51; (6)ACD/BCF (pH 7.4): 8.51; (7)ACD/KOC (pH 5.5): 161.11; (8)ACD/KOC (pH 7.4): 161.11; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 54.57Å2; (13)Index of Refraction: 1.462; (14)Molar Refractivity: 70.27 cm3; (15)Molar Volume: 255.6 cm3; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 1.281 g/cm3; (18)Flash Point: 249.7 °C; (19)Enthalpy of Vaporization: 58.02 kJ/mol; (20)Boiling Point: 358.5 °C at 760 mmHg; (21)Vapour Pressure: 5.25E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: ClC(COP(=O)(OCC(Cl)C)OCC(Cl)C)C
2.InChI: InChI=1/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3 
3.InChIKey: GTRSAMFYSUBAGN-UHFFFAOYAS
4.Std. InChI: InChI=1S/C9H18Cl3O4P/c1-7(10)4-14-17(13,15-5-8(2)11)16-6-9(3)12/h7-9H,4-6H2,1-3H3

The following are the toxicity data which has been tested.

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin 2gm/kg (2000mg/kg) BEHAVIORAL: FOOD INTAKE (ANIMAL)

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0517715,
rat LCLo inhalation 5gm/m3/4H (5000mg/m3) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
National Technical Information Service. Vol. OTS0517715,
rat LD50 oral 1017mg/kg (1017mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: IRRITABILITY

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
National Technical Information Service. Vol. OTS0517716,